MMsINC Database Search


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MMsINC code: MMs02118508

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c(ccc1-c1cc(ccc1)-c1nc3c(cc1)cccc3)cccc2

InChI:

InChI=1/C24H16N2/c1-3-10-21-17(6-1)12-14-23(25-21)19-8-5-9-20(16-19)24-15-13-18-7-2-4-11-22(18)26-24/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.195 kcal/mol

Physical Properties
Molecular Weight: 332.406 g/mol	logS: -7.35232	SlogP: 6.117	Reactive groups: 0

Topological Properties
Globularity: 0.00102236	Sterimol/B1: 2.21613	Sterimol/B2: 2.34651	Sterimol/B3: 3.21933
Sterimol/B4: 8.84128	Sterimol/L: 16.978

Surface and Volume Properties
Accessible surface: 597.067	Positive charged surface: 297.754	Negative charged surface: 277.843	Volume: 334.375
Hydrophobic surface: 558.522	Hydrophilic surface: 38.545

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.